2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide

C15H18BrN3O2 — CID 78961298

IUPAC2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cnc2cc(Br)ccc2c1=O
InChIInChI=1S/C15H18BrN3O2/c1-10(2)5-6-17-14(20)8-19-9-18-13-7-11(16)3-4-12(13)15(19)21/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,20)
InChIKeyAJFDQHLSNRGKFI-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.32
Rot. Bonds5

About 2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide

2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide (PubChem CID 78961298) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide
PubChem CID78961298
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cnc2cc(Br)ccc2c1=O
InChIInChI=1S/C15H18BrN3O2/c1-10(2)5-6-17-14(20)8-19-9-18-13-7-11(16)3-4-12(13)15(19)21/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,20)
InChIKeyAJFDQHLSNRGKFI-UHFFFAOYSA-N
XLogP2.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119496250
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
CID 78961186
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217
2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 96503311
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24520750
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one
CID 106455785
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2540751

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide (CID 78961298) is 2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1cnc2cc(Br)ccc2c1=O.
What is the InChIKey of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is AJFDQHLSNRGKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10(2)5-6-17-14(20)8-19-9-18-13-7-11(16)3-4-12(13)15(19)21/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,20).
What are the key properties of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide?
2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 352.23 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 78961298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).